7-cyclopentyl-3-(phenylmethyl)-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 7-cyclopentyl-3-(phenylmethyl)-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-benzyl-7-cyclopentyl-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 7-cyclopentyl-3-(phenylmethyl)-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-benzyl-7-cyclopentyl-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-benzyl-7-cyclopentyl-6-(2-propoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(NN=C3N2C4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(NN=C3N2C4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2/c1-2-16-32-22-15-9-8-14-20(22)24-27-26(31)23-21(17-18-10-4-3-5-11-18)28-29-25(23)30(24)19-12-6-7-13-19/h3-5,8-11,14-15,19H,2,6-7,12-13,16-17H2,1H3,(H,28,29)